4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C7H14N2 — CID 10630840

IUPAC4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCN=C(N)CC1
InChIInChI=1S/C7H14N2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyMHGPAOVGILAFJX-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.16
Rot. Bonds

About 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine

4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 10630840) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID10630840
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1CCN=C(N)CC1
InChIInChI=1S/C7H14N2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3,(H2,8,9)
InChIKeyMHGPAOVGILAFJX-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 10630840) is 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1CCN=C(N)CC1.
What is the InChIKey of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is MHGPAOVGILAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3,(H2,8,9).
What are the key properties of 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 126.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 10630840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).